N-(6-ethanoyl-1,3-benzodioxol-5-yl)-4-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-3-nitro-benzamide

Systemtic Name: N-(6-ethanoyl-1,3-benzodioxol-5-yl)-4-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-3-nitro-benzamide Openeye Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-4-(1-methyltetrazol-5-yl)sulfanyl-3-nitro-benzamide CAS Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-4-[(1-methyl-5-tetrazolyl)thio]-3-nitrobenzamide IUPAC Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-4-(1-methyltetrazol-5-yl)sulfanyl-3-nitrobenzamide Traditional Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-4-[(1-methyltetrazol-5-yl)thio]-3-nitro-benzamide Formula: C18H14N6O6S MolecularWeight: 442.40536

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1NC(=O)C3=CC(=C(C=C3)SC4=NN=NN4C)[N+](=O)[O-])OCO2

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1NC(=O)C3=CC(=C(C=C3)SC4=NN=NN4C)[N+](=O)[O-])OCO2

InChI

InChI=1S/C18H14N6O6S/c1-9(25)11-6-14-15(30-8-29-14)7-12(11)19-17(26)10-3-4-16(13(5-10)24(27)28)31-18-20-21-22-23(18)2/h3-7H,8H2,1-2H3,(H,19,26)